General Information of the Compound
| Compound ID |
CP0327876
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| Compound Name |
N-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide
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| Structure |
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| Formula |
C28H29NO8
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| Molecular Weight |
507.539
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| Canonical SMILES |
COc1ccc(NC(=O)COc2ccc(cc2)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC
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| InChI |
InChI=1S/C28H29NO8/c1-32-23-13-9-20(16-24(23)33-2)29-27(31)17-37-21-10-7-19(8-11-21)22(30)12-6-18-14-25(34-3)28(36-5)26(15-18)35-4/h6-16H,17H2,1-5H3,(H,29,31)/b12-6+
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| InChIKey |
KRBVAHJAUKYLQU-WUXMJOGZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2